SCHEMBL31246478

SCHEMBL31246478

COc1cc(-c2cnc3c(n2)c(-c2ccc(C(=O)N(C)C[C@H](C)O)c(C)c2)cn3S(=O)(=O)Cc2ccccc2)cc2c1CCN(C)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.47
▸ JAK2 O60674 8/20 0.36
▸ JAK1 P23458 7/20 0.36
▸ TYK2 P29597 7/20 0.36
▸ JAK3 P52333 7/20 0.36
▸ MAP3K5 Q99683 1/20 0.32
▸ NEK2 P51955 1/20 0.31
▸ CCNE2 O96020 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CHRM5 P08912 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ PDK1 Q15118 1/20 0.30
▸ ABCB1 P08183 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29930100 0.94 MAP4K1 (0.53) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608770 0.89 MAP4K1 (0.47) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL31246458 0.88 MAP4K1 (0.44) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL31246485 0.88 MAP4K1 (0.44) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608662 0.84 MAP4K1 (0.43) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22859181 0.83 MAP4K1 (0.47) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608845 0.82 MAP4K1 (0.53) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29609242 0.82 MAP4K1 (0.53) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858872 0.82 MAP4K1 (0.70) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858870 0.82 MAP4K1 (0.70) MAP4K1JAK2JAK1TYK2JAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073474-B Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-10-18 — — CN disclosed
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